SCHEMBL10259580

SCHEMBL10259580

Cc1nc2cccc(OCC(C)(C)NC(=O)CCCCCN)c2c(N)c1I1OCO1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 2/20 0.32
▸ SMYD3 Q9H7B4 1/20 0.32
▸ NPC1 O15118 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10258396 0.83 MEN1 (0.35) SSTR4SMYD3NPC1LMNAHTT
Trifluoroacetic Acid SCHEMBL618411 0.80 HDAC1 (0.34) SSTR4SMYD3NPC1LMNAHTT
Trifluoroacetic Acid SCHEMBL28461278 0.80 HDAC1 (0.34) SSTR4SMYD3NPC1LMNAHTT
SCHEMBL10251594 0.79 SMN1; SMN2 (0.34) NPC1LMNAHTTRAB9AATM
SCHEMBL618412 0.78 NPC1 (0.30) SSTR4NPC1LMNAHTTRAB9A
SCHEMBL27103193 0.76 CYP1A2 (0.36) NPC1LMNAHTTRAB9AATM
SCHEMBL10267233 0.76 SCD (0.37) NPC1HTTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL19669674 0.74 MEN1 (0.34) SSTR4NPC1LMNAHTTRAB9A
SCHEMBL620099 0.74 CYP3A4 (0.40) NPC1RAB9A
SCHEMBL621043 0.72 KMT2A (0.40) SSTR4SMYD3NPC1LMNAHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012021837-A2 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER SENOMYX, INC. (US) 2012-02-16 — — WO disclosed
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